[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine

C13H21FN2S — CID 105226703

IUPAC[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
SMILESCc1ccc(F)c(C(CSCC(C)C)NN)c1
InChIInChI=1S/C13H21FN2S/c1-9(2)7-17-8-13(16-15)11-6-10(3)4-5-12(11)14/h4-6,9,13,16H,7-8,15H2,1-3H3
InChIKeyKXWRBUPVCCLMQC-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.03
Rot. Bonds6

About [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine

[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine (PubChem CID 105226703) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
PubChem CID105226703
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
SMILESCc1ccc(F)c(C(CSCC(C)C)NN)c1
InChIInChI=1S/C13H21FN2S/c1-9(2)7-17-8-13(16-15)11-6-10(3)4-5-12(11)14/h4-6,9,13,16H,7-8,15H2,1-3H3
InChIKeyKXWRBUPVCCLMQC-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105227053
[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226770
[1-(2-fluoro-5-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105302713
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
[1-(2-fluoro-4-methylphenyl)-3-methylbutyl]hydrazine
CID 105282720
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
[2-(2-methylpropylsulfanyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105226844
[2-(2,5-dichlorophenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309794
[1-(2-fluoro-5-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211767
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The IUPAC name of [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine (CID 105226703) is [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine is Cc1ccc(F)c(C(CSCC(C)C)NN)c1.
What is the InChIKey of [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The InChIKey is KXWRBUPVCCLMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-9(2)7-17-8-13(16-15)11-6-10(3)4-5-12(11)14/h4-6,9,13,16H,7-8,15H2,1-3H3.
What are the key properties of [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
[1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine has a molecular weight of 256.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine is sourced from PubChem (CID 105226703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).